SCHEMBL3220535

SCHEMBL3220535

Cc1c(O)c(O)c(SCCc2ccco2)c(SCCc2ccco2)c1SCCc1ccco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 4/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 3/20 0.34
PKM P14618 2/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN7 P35236 1/20 0.33
ALOX15 P16050 2/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3218390 0.80 GAA (0.38) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3210543 0.79 ALDH1A1 (0.37) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3208215 0.79 ALDH1A1 (0.37) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3195622 0.78 ALDH1A1 (0.38) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3208066 0.77 MAOA (0.36) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3217119 0.75 HTR2B (0.37) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3207680 0.75 ALDH1A1 (0.36) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3205766 0.74 HPGD (0.35) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3214279 0.73 ALDH1A1 (0.39) HPGDALDH1A1HSD17B10POLBMAPT
SCHEMBL3220106 0.71 HPGD (0.40) HPGDALDH1A1HSD17B10POLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100040733-A1 AROMA STABILIZING METHOD NESTEC S.A. (CH) 2010-02-18 US disclosed
EP-2066182-A1 AROMA STABILIZING METHOD NESTEC S.A. (CH) 2009-06-10 EP disclosed
WO-2008031848-A1 AROMA STABILIZING METHOD NESTEC S.A. (CH) 2008-03-20 WO disclosed